| CAS Number | 2014375-15-4 |
| Catalog Number | AG00I3RP(AGN-PC-0WR4BY) |
| Chemical Name | 3-Iodo-5-methyl-2H-pyrazole, HCl |
| IUPAC Name | 3-iodo-5-methyl-1H-pyrazole;hydrochloride |
| InChI | InChI=1S/C4H5IN2.ClH/c1-3-2-4(5)7-6-3;/h2H,1H3,(H,6,7);1H |
| InChI Key | SQDVADFRJGHHNY-UHFFFAOYSA-N |
| MDL Number | MFCD21333049 |
| Molecular Formula | C4H6ClIN2 |
| Molecular Weight | 244.4613 |
| SMILES | Cc1n[nH]c(c1)I.Cl |
| Synonyms | 2014375-15-4,
5-Iodo-3-methyl-1H-pyrazole hydrochloride,
3-IODO-5-METHYL-2H-PYRAZOLE HYDROCHLORIDE,
C4H5IN2.ClH,
SCHEMBL18096313,
3-Iodo-5-methyl-2H-pyrazole HCl,
3-Iodo-5-methyl-2H-pyrazole, HCl,
KM5563,
MFCD21333049,
AKOS027357079,
Y2583,
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| Complexity | 66.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.46g/mol |
| Monoisotopic Mass | 243.926g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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